N-tert-butyl-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-tert-butyl-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-tert-butyl-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8015-0920 |
| Compound Name: | N-tert-butyl-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C19 H21 N5 O S |
| Smiles: | CC(C)(C)NC(CSc1nnc(c2ccccn2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8316 |
| logD: | 2.8314 |
| logSw: | -3.2717 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.327 |
| InChI Key: | KQYDUNGSVKVBOG-UHFFFAOYSA-N |